A1L75
Summary
| Name: | (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3,5-dimethyl-phenyl]-dimethyl-silyl]-2,6-dimethyl-phenoxy]-4-oxidanyl-pentanoic acid |
| Formula: | C29 H44 O6 Si |
| Formal charge: | 0 |
| Formula weight: | 516.742 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3,5-dimethyl-phenyl]-dimethyl-silyl]-2,6-dimethyl-phenoxy]-4-oxidanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H44O6Si/c1-9-29(33,10-2)18-35-28-21(5)15-25(16-22(28)6)36(7,8)24-13-19(3)27(20(4)14-24)34-17-23(30)11-12-26(31)32/h13-16,23,30,33H,9-12,17-18H2,1-8H3,(H,31,32) |
| InChIKey | InChI | 1.06 | NBCWQJGLMDGMMV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(O)(CC)COc1c(C)cc(cc1C)[Si](C)(C)c2cc(C)c(OC[C@@H](O)CCC(O)=O)c(C)c2 |
| SMILES | CACTVS | 3.385 | CCC(O)(CC)COc1c(C)cc(cc1C)[Si](C)(C)c2cc(C)c(OC[CH](O)CCC(O)=O)c(C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1c(cc(cc1C)[Si](C)(C)c2cc(c(c(c2)C)OC[C@H](CCC(=O)O)O)C)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)(COc1c(cc(cc1C)[Si](C)(C)c2cc(c(c(c2)C)OCC(CCC(=O)O)O)C)C)O |
